2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C18H11BrN6 — CID 50754191

IUPAC2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESBrc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C18H11BrN6/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)17-21-18-13-3-1-2-4-14(13)20-10-25(18)24-17/h1-10H,(H,22,23)
InChIKeyZRBROLPJKMJSFD-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.10
Rot. Bonds2

About 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 50754191) has the molecular formula C18H11BrN6 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID50754191
Molecular FormulaC18H11BrN6
Molecular Weight391.23 g/mol
Exact Mass390.02
IUPAC Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESBrc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C18H11BrN6/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)17-21-18-13-3-1-2-4-14(13)20-10-25(18)24-17/h1-10H,(H,22,23)
InChIKeyZRBROLPJKMJSFD-UHFFFAOYSA-N
XLogP4.10
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 50754191) is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline is Brc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is ZRBROLPJKMJSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN6/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)17-21-18-13-3-1-2-4-14(13)20-10-25(18)24-17/h1-10H,(H,22,23).
What are the key properties of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 391.23 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 50754191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).